Information card for entry 7004597

Structure parameters

• Formula: C16 H37 Cl2 Cu2 N4 O13
• Calculated formula: C16 H33 Cl2 Cu2 N4 O13
• Title of publication: Cyclam derivatives containing three acetate pendant arms: synthesis, acid‒base, metal complexation and structural studies
• Authors of publication: Lima, Luís M. P.; Delgado, Rita; Drew, Michael G. B.; Brandão, Paula; Félix, Vítor
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6593 - 6608
• a: 8.969 ± 0.0005 Å
• b: 19.5142 ± 0.001 Å
• c: 15.7711 ± 0.001 Å
• α: 90°
• β: 93.118 ± 0.003°
• γ: 90°
• Cell volume: 2756.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No